| # | Line 228 | Line 228 | namespace OpenMD { | |
|---|---|---|
| 228 | catch (OpenMDException& e) { | |
| 229 | sprintf(painCave.errMsg, | |
| 230 | "%s\n", | |
| 231 | < | e.getMessage().c_str()); |
| 231 | > | e.what()); |
| 232 | painCave.isFatal = 1; | |
| 233 | simError(); | |
| 234 | } | |
| # | Line 787 | Line 787 | namespace OpenMD { | |
| 787 | ||
| 788 | if (simParams->getOutputElectricField() | simParams->haveElectricField()) { | |
| 789 | storageLayout |= DataStorage::dslElectricField; | |
| 790 | + | } |
| 791 | + | |
| 792 | + | if (simParams->getOutputSitePotential() ) { |
| 793 | + | storageLayout |= DataStorage::dslSitePotential; |
| 794 | } | |
| 795 | ||
| 796 | if (simParams->getOutputFluctuatingCharges()) { | |
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| + | Added lines |
| < | Changed lines |
| > | Changed lines |